(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide

C18H20N2O4S2 — CID 10949226

IUPAC(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=[S@@](/C)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-14-8-10-17(11-9-14)26(22,23)19-25(2)20-16(13-24-18(20)21)12-15-6-4-3-5-7-15/h3-11,16H,12-13H2,1-2H3/t16-,25+/m0/s1
InChIKeyMPFOGPITNBZPOK-IVCQMTBJSA-N
MW392.50 g/mol
LogP3.09
Rot. Bonds5

About (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide

(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 10949226) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID10949226
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=[S@@](/C)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-14-8-10-17(11-9-14)26(22,23)19-25(2)20-16(13-24-18(20)21)12-15-6-4-3-5-7-15/h3-11,16H,12-13H2,1-2H3/t16-,25+/m0/s1
InChIKeyMPFOGPITNBZPOK-IVCQMTBJSA-N
XLogP3.09
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-benzyl-6-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 135070212
(4S)-4-benzyl-3-(4-methylphenyl)sulfinyl-1,3-oxazolidine-2-thione
CID 132608733
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
(4S)-4-benzyl-3-[(E)-3-[(2R,3R)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 102352322
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
5-benzyl-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-one
CID 85109223
1-[(2S,4S)-4-benzyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]propan-2-one
CID 53384074
(4S)-4-benzyl-2-methoxy-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
CID 122207347
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide (CID 10949226) is (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=[S@@](/C)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is MPFOGPITNBZPOK-IVCQMTBJSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-14-8-10-17(11-9-14)26(22,23)19-25(2)20-16(13-24-18(20)21)12-15-6-4-3-5-7-15/h3-11,16H,12-13H2,1-2H3/t16-,25+/m0/s1.
What are the key properties of (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10949226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).